4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-decyl-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-decyl-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutyric acid Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

Isomeric SMILES

CCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

InChI

InChI=1S/C25H38N2O4/c1-3-4-5-6-7-8-9-10-15-27-19(2)21(18-24(26)28)22-17-20(13-14-23(22)27)31-16-11-12-25(29)30/h13-14,17H,3-12,15-16,18H2,1-2H3,(H2,26,28)(H,29,30)